1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane

C226H265B4Br8N9O8 — CID 159223541

About 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane (PubChem CID 159223541) has the molecular formula C226H265B4Br8N9O8 and a molecular weight of 3918.14 g/mol. Its IUPAC name is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane
• PubChem CID: 159223541
• Molecular Formula: C226H265B4Br8N9O8
• Molecular Weight: 3918.14 g/mol
• Exact Mass: 3908.44
• IUPAC Name: 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane
• SMILES: CCCCCCCCCC1(C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)cc4)nc(-c4ccc(Br)cc4)n3)cn2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)C3=C(C=CC(B4OC(C)(C)C(C)(C)O4)C3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1
• InChI: InChI=1S/C49H66B2O4.C42H46Br2N2.C38H40Br2N4.C37H40Br2.C33H37Br2N3.C27H36B2O4/c1-11-13-15-17-19-35-21-25-37(26-22-35)49(38-27-23-36(24-28-38)20-18-16-14-12-2)43-33-39(50-52-45(3,4)46(5,6)53-50)29-31-41(43)42-32-30-40(34-44(42)49)51-54-47(7,8)48(9,10)55-51;1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;1-2-3-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)35-26-21-32(27-41-35)38-43-36(30-17-22-33(39)23-18-30)42-37(44-38)31-19-24-34(40)25-20-31;1-3-5-7-9-13-27-15-11-17-29(23-27)37(30-18-12-16-28(24-30)14-10-8-6-4-2)35-25-31(38)19-21-33(35)34-22-20-32(39)26-36(34)37;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;1-3-4-5-6-7-8-9-14-27(2)25-19-21(28-30-15-16-31-28)10-12-23(25)24-13-11-22(20-26(24)27)29-32-17-18-33-29/h21-33,40H,11-20,34H2,1-10H3;11-26H,1-10H3;13-27H,2-12H2,1H3;11-12,15-26H,3-10,13-14H2,1-2H3;13-24H,2-12H2,1H3;10-13,19-20H,3-9,14-18H2,1-2H3
• InChIKey: KRZOILBQXFGCFU-UHFFFAOYSA-N
• XLogP: 64.94
• TPSA: 170.55 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 71
• Heavy Atoms: 255
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3918.14
LogP ≤ 5	64.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane?

The IUPAC name of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane (CID 159223541) is 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane.

What is the SMILES notation for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane?

The canonical SMILES for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane is CCCCCCCCCC1(C)c2cc(B3OCCO3)ccc2-c2ccc(B3OCCO3)cc21.CCCCCCCCCCCCc1ccc(-c2ccc(-c3nc(-c4ccc(Br)cc4)nc(-c4ccc(Br)cc4)n3)cn2)cc1.CCCCCCCCCCCCc1ccc(-c2nc(-c3ccc(Br)cc3)nc(-c3ccc(Br)cc3)n2)cc1.CCCCCCc1ccc(C2(c3ccc(CCCCCC)cc3)C3=C(C=CC(B4OC(C)(C)C(C)(C)O4)C3)c3ccc(B4OC(C)(C)C(C)(C)O4)cc32)cc1.CCCCCCc1cccc(C2(c3cccc(CCCCCC)c3)c3cc(Br)ccc3-c3ccc(Br)cc32)c1.Cc1cc(C(C)(C)C)cc(C)c1N(c1ccc(Br)cc1)c1ccc(N(c2ccc(Br)cc2)c2c(C)cc(C(C)(C)C)cc2C)cc1.

What is the InChIKey of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane?

The InChIKey is KRZOILBQXFGCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H66B2O4.C42H46Br2N2.C38H40Br2N4.C37H40Br2.C33H37Br2N3.C27H36B2O4/c1-11-13-15-17-19-35-21-25-37(26-22-35)49(38-27-23-36(24-28-38)20-18-16-14-12-2)43-33-39(50-52-45(3,4)46(5,6)53-50)29-31-41(43)42-32-30-40(34-44(42)49)51-54-47(7,8)48(9,10)55-51;1-27-23-31(41(5,6)7)24-28(2)39(27)45(35-15-11-33(43)12-16-35)37-19-21-38(22-20-37)46(36-17-13-34(44)14-18-36)40-29(3)25-32(26-30(40)4)42(8,9)10;1-2-3-4-5-6-7-8-9-10-11-12-28-13-15-29(16-14-28)35-26-21-32(27-41-35)38-43-36(30-17-22-33(39)23-18-30)42-37(44-38)31-19-24-34(40)25-20-31;1-3-5-7-9-13-27-15-11-17-29(23-27)37(30-18-12-16-28(24-30)14-10-8-6-4-2)35-25-31(38)19-21-33(35)34-22-20-32(39)26-36(34)37;1-2-3-4-5-6-7-8-9-10-11-12-25-13-15-26(16-14-25)31-36-32(27-17-21-29(34)22-18-27)38-33(37-31)28-19-23-30(35)24-20-28;1-3-4-5-6-7-8-9-14-27(2)25-19-21(28-30-15-16-31-28)10-12-23(25)24-13-11-22(20-26(24)27)29-32-17-18-33-29/h21-33,40H,11-20,34H2,1-10H3;11-26H,1-10H3;13-27H,2-12H2,1H3;11-12,15-26H,3-10,13-14H2,1-2H3;13-24H,2-12H2,1H3;10-13,19-20H,3-9,14-18H2,1-2H3.

What are the key properties of 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane?

1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane has a molecular weight of 3918.14 g/mol, XLogP of 64.94, 71 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N,4-N-bis(4-bromophenyl)-1-N,4-N-bis(4-tert-butyl-2,6-dimethylphenyl)benzene-1,4-diamine;2,4-bis(4-bromophenyl)-6-[6-(4-dodecylphenyl)-3-pyridinyl]-1,3,5-triazine;2,4-bis(4-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine;2-[9,9-bis(4-hexylphenyl)-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydrofluoren-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;2,7-dibromo-9,9-bis(3-hexylphenyl)fluorene;2-[7-(1,3,2-dioxaborolan-2-yl)-9-methyl-9-nonylfluoren-2-yl]-1,3,2-dioxaborolane is sourced from PubChem (CID 159223541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).